4-(3,3-dimethylbutyl)-1-methoxy-1-(trifluoromethyl)cyclohexane

C14H25F3O — CID 134170809

IUPAC4-(3,3-dimethylbutyl)-1-methoxy-1-(trifluoromethyl)cyclohexane
SMILESCOC1(C(F)(F)F)CCC(CCC(C)(C)C)CC1
InChIInChI=1S/C14H25F3O/c1-12(2,3)8-5-11-6-9-13(18-4,10-7-11)14(15,16)17/h11H,5-10H2,1-4H3
InChIKeySYCMIOXRZUFKJV-UHFFFAOYSA-N
MW266.35 g/mol
LogP4.95
Rot. Bonds3

About 4-(3,3-dimethylbutyl)-1-methoxy-1-(trifluoromethyl)cyclohexane

4-(3,3-dimethylbutyl)-1-methoxy-1-(trifluoromethyl)cyclohexane (PubChem CID 134170809) has the molecular formula C14H25F3O and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)-1-methoxy-1-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name4-(3,3-dimethylbutyl)-1-methoxy-1-(trifluoromethyl)cyclohexane
PubChem CID134170809
Molecular FormulaC14H25F3O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name4-(3,3-dimethylbutyl)-1-methoxy-1-(trifluoromethyl)cyclohexane
SMILESCOC1(C(F)(F)F)CCC(CCC(C)(C)C)CC1
InChIInChI=1S/C14H25F3O/c1-12(2,3)8-5-11-6-9-13(18-4,10-7-11)14(15,16)17/h11H,5-10H2,1-4H3
InChIKeySYCMIOXRZUFKJV-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutyl)-1-methoxy-1-(trifluoromethyl)cyclohexane?
The IUPAC name of 4-(3,3-dimethylbutyl)-1-methoxy-1-(trifluoromethyl)cyclohexane (CID 134170809) is 4-(3,3-dimethylbutyl)-1-methoxy-1-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 4-(3,3-dimethylbutyl)-1-methoxy-1-(trifluoromethyl)cyclohexane?
The canonical SMILES for 4-(3,3-dimethylbutyl)-1-methoxy-1-(trifluoromethyl)cyclohexane is COC1(C(F)(F)F)CCC(CCC(C)(C)C)CC1.
What is the InChIKey of 4-(3,3-dimethylbutyl)-1-methoxy-1-(trifluoromethyl)cyclohexane?
The InChIKey is SYCMIOXRZUFKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3O/c1-12(2,3)8-5-11-6-9-13(18-4,10-7-11)14(15,16)17/h11H,5-10H2,1-4H3.
What are the key properties of 4-(3,3-dimethylbutyl)-1-methoxy-1-(trifluoromethyl)cyclohexane?
4-(3,3-dimethylbutyl)-1-methoxy-1-(trifluoromethyl)cyclohexane has a molecular weight of 266.35 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)-1-methoxy-1-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 134170809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).